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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 1GAR | Ki = 100 pM | U89 | C27 H38 N7 O12 P S | c1cc(ccc1C.... |
2 | 1JKX | Ki = 20 uM | 138 | C30 H37 N6 O15 P | c1cc(ccc1C.... |
3 | 1C3E | - | NHR | C23 H22 N4 O8 | c1cc(ccc1[.... |
4 | 1CDE | - | GAR | C7 H13 N2 O8 P | C([C@@H]1[.... |
5 | 1C2T | Ki = 260 nM | NHS | C23 H22 N4 O8 | c1cc(ccc1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 4ZYY | Ki = 9 nM | 3YC | C20 H23 N5 O6 S | c1c(csc1CC.... |
2 | 4ZYU | Ki = 1067 nM | 3YA | C22 H24 N4 O6 S | c1cc(ccc1C.... |
3 | 4ZZ1 | Ki = 13 nM | 3YF | C19 H21 N5 O6 S | c1c(csc1C(.... |
4 | 1RBM | Ki = 4 nM | KT5 | C42 H54 F3 N9 O20 | c1cc(ccc1[.... |
5 | 1RBQ | - | KEU | C22 H30 F3 N5 O8 | c1cc(ccc1[.... |
6 | 4EW3 | Ki = 0.18 uM | DXZ | C21 H27 N5 O6 S | CS[C@H](CC.... |
7 | 4EW2 | - | DXY | C21 H27 N5 O6 S | CS[C@@H](C.... |
8 | 4ZYT | Ki = 17 nM | 3Y9 | C22 H25 N5 O6 | c1cc(ccc1C.... |
9 | 1RC1 | - | KT3 | C32 H40 F3 N7 O14 | c1cc(ccc1[.... |
10 | 1RBY | - | KEU | C22 H30 F3 N5 O8 | c1cc(ccc1[.... |
11 | 4ZYW | Ki = 68 nM | G94 | C19 H21 N5 O6 S | c1cc(sc1CC.... |
12 | 4ZZ3 | Ki = 1000 nM | 4DW | C20 H19 N5 O6 | c1cc(ccc1C.... |
13 | 4ZYZ | Ki = 67 nM | 3YD | C18 H25 N5 O6 | c1c([nH]c2.... |
14 | 1MEN | - | GAR | C7 H13 N2 O8 P | C([C@@H]1[.... |
15 | 1RC0 | Ki = 4 nM | KT5 | C42 H54 F3 N9 O20 | c1cc(ccc1[.... |
16 | 4ZYX | Ki = 7 nM | 3YB | C20 H23 N5 O6 S | c1c(csc1C(.... |
17 | 4ZZ0 | Ki = 99 nM | 3YE | C19 H27 N5 O6 | c1c([nH]c2.... |
18 | 4ZZ2 | Ki = 9.1 nM | 3YG | C19 H21 N5 O6 S | c1c(csc1CC.... |
19 | 1ZLY | - | GRF | C5 H12 N O7 P | C([C@@H]1[.... |
20 | 5J9F | Ki = 59 nM | 83A | C20 H22 N6 O6 | c1cc(ccc1C.... |
21 | 1NJS | Ki = 15 nM | KEU | C22 H30 F3 N5 O8 | c1cc(ccc1[.... |
22 | 1RBZ | Ki = 4 nM | KT5 | C42 H54 F3 N9 O20 | c1cc(ccc1[.... |
23 | 4ZYV | Ki = 22 nM | G71 | C20 H23 N5 O6 S | c1cc(sc1CC.... |
24 | 1GAR | Ki = 100 pM | U89 | C27 H38 N7 O12 P S | c1cc(ccc1C.... |
25 | 1JKX | Ki = 20 uM | 138 | C30 H37 N6 O15 P | c1cc(ccc1C.... |
26 | 1C3E | - | NHR | C23 H22 N4 O8 | c1cc(ccc1[.... |
27 | 1CDE | - | GAR | C7 H13 N2 O8 P | C([C@@H]1[.... |
28 | 1C2T | Ki = 260 nM | NHS | C23 H22 N4 O8 | c1cc(ccc1[.... |
This union binding pocket(no: 1) in the query (biounit: 1gar.bio1) has 33 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 2OFD | NGA | None |
2 | 2UYN | 2KT | None |
3 | 1F28 | UMP | 0.943396 |
4 | 1ZD9 | GDP | 1.06383 |
5 | 1Y2W | NAG | 1.40845 |
6 | 3B5J | 12D | 1.88679 |
7 | 4G9N | NGA | 2.0979 |
8 | 1GXU | 2HP | 2.1978 |
9 | 5GVR | LMR | 2.35849 |
10 | 3HKW | IX6 | 2.35849 |
11 | 1GOJ | ADP | 2.35849 |
12 | 3O5N | BR0 | 2.67857 |
13 | 5JQ1 | ZPF | 2.75862 |
14 | 5E5U | MLI | 2.83019 |
15 | 4WZ6 | ATP | 2.83019 |
16 | 2Z9I | GLY ALA THR VAL | 2.83019 |
17 | 2OBM | ADP | 2.83019 |
18 | 3THR | C2F | 2.83019 |
19 | 4DFU | QUE | 2.83019 |
20 | 2Y65 | ADP | 2.83019 |
21 | 3B7G | ANP | 2.83019 |
22 | 3R4S | SIA | 2.83019 |
23 | 6FA4 | GNP | 2.89017 |
24 | 1TLG | GAL | 3.2 |
25 | 1Q19 | SSC | 3.30189 |
26 | 5TSH | ADP | 3.30189 |
27 | 2AAZ | UMP | 3.30189 |
28 | 4ZNO | SUC | 3.30189 |
29 | 6M7X | JD7 | 3.30189 |
30 | 3A4M | ADP | 3.30189 |
31 | 2BQP | GLC | 3.30189 |
32 | 3QDW | A2G | 3.4965 |
33 | 3QDV | A2G | 3.4965 |
34 | 3QDY | A2G GAL | 3.4965 |
35 | 3QDT | A2G GAL | 3.4965 |
36 | 3QDX | A2G GAL | 3.4965 |
37 | 1CBK | ROI | 3.75 |
38 | 5NM7 | GLY | 3.7594 |
39 | 2OG2 | MLI | 3.77358 |
40 | 3TY3 | GGG | 3.77358 |
41 | 1G8S | MET | 3.77358 |
42 | 3B9Q | MLI | 3.77358 |
43 | 4B2D | SER | 3.77358 |
44 | 1J3I | UMP | 3.77358 |
45 | 3DRW | AMP | 3.77358 |
46 | 2CBZ | ATP | 3.79747 |
47 | 2F5X | ASP | 3.84615 |
48 | 2C3H | GLC GLC | 4.08163 |
49 | 5WXU | FLC | 4.24528 |
50 | 1DLL | LAT | 4.24528 |
51 | 2GK6 | ADP | 4.24528 |
52 | 4ZUL | UN1 | 4.71698 |
53 | 2RI1 | GLP | 4.71698 |
54 | 2DVZ | GLU | 4.71698 |
55 | 1SL6 | GAL NDG FUC | 4.8913 |
56 | 2G77 | AF3 | 5.05051 |
57 | 5AHN | IMP | 5.18868 |
58 | 5EYW | PGA | 5.18868 |
59 | 2Q8M | AMP | 5.18868 |
60 | 4CVN | ADP | 5.2356 |
61 | 4NAE | 1GP | 5.66038 |
62 | 5WJ6 | B4A | 5.66038 |
63 | 4U00 | ADP | 5.66038 |
64 | 2VVG | ADP | 5.66038 |
65 | 4WQQ | MAN | 5.67376 |
66 | 5FII | PHE | 5.88235 |
67 | 2X7I | CIT | 6.13208 |
68 | 1R0X | ATP | 6.13208 |
69 | 2D2F | ADP | 6.13208 |
70 | 2PZE | ATP | 6.13208 |
71 | 4EIL | UMP | 6.13208 |
72 | 2FR6 | URI | 6.16438 |
73 | 2FR6 | CTN | 6.16438 |
74 | 3KUD | GDP | 6.17284 |
75 | 2X2T | GAL NGA | 6.53595 |
76 | 1B0U | ATP | 6.60377 |
77 | 1NE7 | 16G | 6.60377 |
78 | 1KNM | LAT | 6.92308 |
79 | 2WPB | ZZI | 7.07547 |
80 | 1G6H | ADP | 7.07547 |
81 | 5YV5 | ADP | 7.07547 |
82 | 1YQT | ADP | 7.07547 |
83 | 3KC1 | 2T6 | 7.07547 |
84 | 5C79 | PBU | 7.33333 |
85 | 5MQW | GTP | 7.54717 |
86 | 5MQW | ATP | 7.54717 |
87 | 2AWN | ADP | 7.54717 |
88 | 5T63 | ALA ALA ALA ALA | 7.54717 |
89 | 3COB | ADP | 7.54717 |
90 | 5MUA | GAL | 7.54717 |
91 | 3RKR | NAP | 7.54717 |
92 | 4N14 | WR7 | 8.01887 |
93 | 3NZ1 | 3NY | 8.01887 |
94 | 4C2C | ALA ALA ALA | 8.49057 |
95 | 1XVB | BHL BHL | 8.49057 |
96 | 4AG5 | ADP | 8.96226 |
97 | 1XX6 | ADP | 9.42408 |
98 | 6CAM | BGC | 9.43396 |
99 | 1GJW | GLC | 9.43396 |
100 | 2KIN | ADP | 9.43396 |
101 | 2A9W | UMP | 9.90566 |
102 | 1ZPR | UMP | 9.90566 |
103 | 6CDZ | UMP | 9.90566 |
104 | 1JG0 | UMP | 9.90566 |
105 | 1TSD | UMP | 9.90566 |
106 | 1DDU | DDU | 9.90566 |
107 | 1AIQ | UMP | 9.90566 |
108 | 1TLC | DGP | 9.90566 |
109 | 4ISK | UMP | 9.90566 |
110 | 6CDZ | UMC | 9.90566 |
111 | 4LO2 | GAL BGC | 9.90566 |
112 | 1SYN | UMP | 9.90566 |
113 | 1NCE | UMP | 9.90566 |
114 | 5ZXD | ATP | 9.90566 |
115 | 1AXW | UMP | 9.90566 |
116 | 3FGZ | BEF | 10.1562 |
117 | 3ITJ | CIT | 10.3774 |
118 | 1RRC | ADP | 10.3774 |
119 | 3K0T | BGC | 10.4895 |
120 | 4IF4 | BEF | 10.5769 |
121 | 2W58 | ADP | 11.8812 |
122 | 2VMG | MBG | 12.1019 |
123 | 1JJ7 | ADP | 12.2642 |
124 | 2NU8 | COA | 12.2642 |
125 | 2QQD | AG2 | 12.5 |
126 | 3K5I | AIR | 12.7358 |
127 | 3W9F | I3P | 12.7358 |
128 | 5O96 | SAM | 12.7358 |
129 | 2ZQO | NGA | 14.6154 |
130 | 4PPF | FLC | 15.566 |
131 | 4TTS | 6DD | 16.5094 |
132 | 4LXQ | TYD | 16.9811 |
133 | 4LXQ | FON | 16.9811 |
134 | 5VYQ | FON | 18.3962 |
135 | 5UWQ | GNP | 18.3962 |
136 | 4XCZ | FON | 18.8679 |
137 | 4XCZ | T3Q | 18.8679 |
138 | 6EDK | 1YA | 19.3396 |
139 | 2BLN | FON | 20.283 |
140 | 2BLN | U5P | 20.283 |
141 | 5UIJ | TYD | 21.2264 |
142 | 5VYR | B62 | 21.6981 |
143 | 5VYR | GMP | 21.6981 |
144 | 4YFY | 1YJ | 22.1698 |
145 | 5OM2 | DXT | 22.5 |
146 | 1FQJ | ALF | 26.1905 |
147 | 1LOJ | URI | 28.7356 |
148 | 2CFI | ZZZ | 31.1321 |
This union binding pocket(no: 2) in the query (biounit: 1gar.bio1) has 35 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 2BOS | GLA GAL GLC NBU | None |
2 | 4Z2S | NAG | None |
3 | 4Z2S | NDG | None |
4 | 1JJV | ATP | 0.970874 |
5 | 1UPF | URF | 1.88679 |
6 | 5NC9 | 8SZ | 2.35849 |
7 | 5N1P | 8GK | 2.42718 |
8 | 1SQL | GUN | 2.73973 |
9 | 5BSH | PRO | 2.83019 |
10 | 1B5E | DCM | 2.83019 |
11 | 3NBC | LAT | 3.37838 |
12 | 1YQC | GLV | 3.52941 |
13 | 3MWL | 8OX | 3.86473 |
14 | 5A96 | GTP | 4.24528 |
15 | 2B6N | ALA PRO THR | 4.24528 |
16 | 1B09 | PC | 4.36893 |
17 | 1XTT | U5P | 4.71698 |
18 | 6C0B | MLI | 4.71698 |
19 | 3AIA | SAM | 4.73934 |
20 | 1ONI | BEZ | 5.07246 |
21 | 2GKS | ADP | 5.18868 |
22 | 1JI0 | ATP | 5.66038 |
23 | 5N6N | SUC | 5.66038 |
24 | 3TD3 | GLY | 5.69106 |
25 | 2F6U | CIT | 7.07547 |
26 | 1WTC | ACP | 7.54717 |
27 | 3F9W | SAH | 7.83133 |
28 | 2R68 | SUP | 8.01887 |
29 | 1O5O | U5P | 8.96226 |
30 | 4OUJ | LBT | 9.43396 |
31 | 5FJJ | MAN | 10.8491 |
32 | 6GPC | ARG | 11.1111 |
33 | 4LSY | FLC | 19.7802 |
34 | 1LOJ | U | 28.7356 |